3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C135H146F10N30O13S6 — CID 167545869

IUPAC3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC[C@](N)(C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](F)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](OC(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@H](F)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26F3N5O2S.C23H24F3N5O3S.4C22H24FN5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;4*1-11-2-5-15-19(25)20(31-22(15)26-11)21(29)27-13-6-12-3-4-14(7-18(12)30-10-13)28-8-16(23)17(24)9-28/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);4*2-5,7,13,16-17H,6,8-10,24-25H2,1H3,(H,27,29)/t15-,23-;13-,16-,18-;13-,16+,17+;13-,16+,17-;13-,16-,17+;13-,16-,17-/m111111/s1
InChIKeyBTZLRXJHIGTCOJ-FWRYPKAQSA-N
MW2779.23 g/mol
LogP16.38
Rot. Bonds19

About 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167545869) has the molecular formula C135H146F10N30O13S6 and a molecular weight of 2779.23 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167545869
Molecular FormulaC135H146F10N30O13S6
Molecular Weight2779.23 g/mol
Exact Mass2776.99
IUPAC Name3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC[C@](N)(C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](F)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](OC(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@H](F)C5)ccc4C3)sc2n1
InChIInChI=1S/C24H26F3N5O2S.C23H24F3N5O3S.4C22H24FN5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;4*1-11-2-5-15-19(25)20(31-22(15)26-11)21(29)27-13-6-12-3-4-14(7-18(12)30-10-13)28-8-16(23)17(24)9-28/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);4*2-5,7,13,16-17H,6,8-10,24-25H2,1H3,(H,27,29)/t15-,23-;13-,16-,18-;13-,16+,17+;13-,16+,17-;13-,16-,17+;13-,16-,17-/m111111/s1
InChIKeyBTZLRXJHIGTCOJ-FWRYPKAQSA-N
XLogP16.38
TPSA648.23 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002779.23
LogP ≤ 516.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Analyze 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

CID 155277574
CID 155277574
3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137480334
3-amino-N-[(3R)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480360
3-amino-N-(5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480363
3-amino-N-[(3S)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480401
3-amino-N-[(3S)-5-fluoro-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-N,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 137480402
tert-butyl 7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480426
tert-butyl 7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 137480429
4-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5-fluoro-3,4-dihydro-2H-chromen-7-yl]piperazine-1-carboxylic acid
CID 137480468
tert-butyl 3-[(3S)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-5,8-difluoro-3,4-dihydro-2H-chromen-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 137480504
7-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480578
7-[3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-3,4-dihydro-2H-chromen-7-yl]-9,9-difluoro-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 137480583

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167545869) is 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CCC[C@](N)(C(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](F)[C@@H](N)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H](N)[C@H](OC(F)(F)F)C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](N)[C@@H](F)C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BTZLRXJHIGTCOJ-FWRYPKAQSA-N. The full InChI is InChI=1S/C24H26F3N5O2S.C23H24F3N5O3S.4C22H24FN5O2S/c1-13-3-6-17-19(28)20(35-22(17)30-13)21(33)31-15-9-14-4-5-16(10-18(14)34-11-15)32-8-2-7-23(29,12-32)24(25,26)27;1-11-2-5-15-19(28)20(35-22(15)29-11)21(32)30-13-6-12-3-4-14(7-17(12)33-10-13)31-8-16(27)18(9-31)34-23(24,25)26;4*1-11-2-5-15-19(25)20(31-22(15)26-11)21(29)27-13-6-12-3-4-14(7-18(12)30-10-13)28-8-16(23)17(24)9-28/h3-6,10,15H,2,7-9,11-12,28-29H2,1H3,(H,31,33);2-5,7,13,16,18H,6,8-10,27-28H2,1H3,(H,30,32);4*2-5,7,13,16-17H,6,8-10,24-25H2,1H3,(H,27,29)/t15-,23-;13-,16-,18-;13-,16+,17+;13-,16+,17-;13-,16-,17+;13-,16-,17-/m111111/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2779.23 g/mol, XLogP of 16.38, 19 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(3S,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(trifluoromethoxy)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167545869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).